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MMsINC code: MMs00549402

Type: Neutral
Formula: C₂₀H₁₄ClNO₃

SMILES:

Clc1cc(ccc1)C(=O)N(c1ccccc1C(O)=O)c1ccccc1

InChI:

InChI=1/C20H14ClNO3/c21-15-8-6-7-14(13-15)19(23)22(16-9-2-1-3-10-16)18-12-5-4-11-17(18)20(24)25/h1-13H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.986 kcal/mol

Physical Properties
Molecular Weight: 351.789 g/mol	logS: -5.77643	SlogP: 5.0167	Reactive groups: 0

Topological Properties
Globularity: 0.218145	Sterimol/B1: 3.7318	Sterimol/B2: 4.13759	Sterimol/B3: 5.15798
Sterimol/B4: 6.47139	Sterimol/L: 14.2428

Surface and Volume Properties
Accessible surface: 536.278	Positive charged surface: 278.087	Negative charged surface: 258.191	Volume: 316.625
Hydrophobic surface: 445.519	Hydrophilic surface: 90.759

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00549403
CHEMBLOCK-ZINC04360742